>compound 3,5-Dibromo-L-tyrosine_3,5-Dibromo-L-tyrosine
#instrument UPLC Q-Tof Premier, Waters
>formula C9H9Br2NO3
#smiles OC(=O)[C@@H](N)Cc(c1)cc(Br)c(O)c(Br)1
#RECORD LC-ESI-QTOF_train_data/PR100881.txt;LC-ESI-QTOF_train_data/PR100421.txt
>charge -1
>ionization [M-H]-
>parentmass 335.88711

>collision 5-60
78.92 602.4
261.8645 56.56
274.8714 113.8
335.8871 233.0

>collision 5-60
133.0526 56.51
134.0613 57.05
171.9534 98.61
212.9804 270.4
278.8678 50.91
291.8989 343.5
337.9027 92.14

